| Compound Information | SONAR Target prediction | | Name: | EMODIN | | Unique Identifier: | SPE01500898 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C15H10O5 | | Molecular Weight: | 260.158 g/mol | | X log p: | 7.787 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 34.14 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 5 | | Rotatable Bond Count: | 0 | | Canonical Smiles: | Cc1cc(O)c2c(=O)c3c(O)cc(O)cc3c(=O)c2c1 | | Source: | ex Cascara, Rheum and Rhammnus species | | Reference: | Oncogene 17: 913 (1998); Planta Med 65: 9 (1999); Clin Cancer Res 5: 343 (1999) | | Therapeutics: | antimicrobial, antineoplastic, cathartic, tyrosine kinase inhibitor |
| Species: |
4932 |
| Condition: |
SHM2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6516±0.022486 |
| Normalized OD Score: sc h |
0.8336±0.022596 |
| Z-Score: |
-6.1471±0.612208 |
| p-Value: |
0.00000000553408 |
| Z-Factor: |
0.12725 |
| Fitness Defect: |
19.0123 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 6|H8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.10 Celcius | | Date: | 2006-04-08 YYYY-MM-DD | | Plate CH Control (+): | 0.038175±0.00169 | | Plate DMSO Control (-): | 0.786175±0.01936 | | Plate Z-Factor: | 0.9086 |
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ps
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| DBLink | Rows returned: 1 | |
| 3220 |
1,6,8-trihydroxy-3-methyl-anthracene-9,10-dione |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 1535 | Additional Members: 5 | Rows returned: 3 | |
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